CID 3651141

501116-39-8

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
COC1=C(C=C(C=C1)Cl)C2=NOC(=C2)N
InChI
InChI=1S/C10H9ClN2O2/c1-14-9-3-2-6(11)4-7(9)8-5-10(12)15-13-8/h2-5H,12H2,1H3
InChIKey
XSDMZCDURCSVFW-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methoxyphenyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

224.03525 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 146.0
[M+Na]+ 247.024468 157.0
[M-H]- 223.027974 152.5
[M+NH4]+ 242.069073 164.2
[M+K]+ 262.998408 153.8
[M+H-H2O]+ 207.032510 139.5
[M+HCOO]- 269.033451 166.4
[M+CH3COO]- 283.049101 188.0
[M+Na-2H]- 245.009916 151.1
[M]+ 224.03470142 149.9
[M]- 224.03579858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe